N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]valinamide
Chemical Structure Depiction of
N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]valinamide
N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]valinamide
Compound characteristics
| Compound ID: | V004-4526 |
| Compound Name: | N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]valinamide |
| Molecular Weight: | 545.51 |
| Molecular Formula: | C23 H21 F6 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)C(C(Nc1nnc(c2cccc(C)c2)s1)=O)NC(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6629 |
| logD: | 6.6592 |
| logSw: | -5.7011 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.852 |
| InChI Key: | CBMUXMCJEHAKPQ-KRWDZBQOSA-N |